N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide

C19H20ClN3O3 — CID 34572785

IUPACN-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H20ClN3O3/c1-12-3-6-15(9-13(12)2)19(26)21-11-18(25)23-22-17(24)10-14-4-7-16(20)8-5-14/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyOUZSKMHHSOHKKQ-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.08
Rot. Bonds5

About N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 34572785) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID34572785
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H20ClN3O3/c1-12-3-6-15(9-13(12)2)19(26)21-11-18(25)23-22-17(24)10-14-4-7-16(20)8-5-14/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyOUZSKMHHSOHKKQ-UHFFFAOYSA-N
XLogP2.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
4-tert-butyl-N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 26657294
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936804
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 8590133
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 26657357
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide (CID 34572785) is N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is OUZSKMHHSOHKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12-3-6-15(9-13(12)2)19(26)21-11-18(25)23-22-17(24)10-14-4-7-16(20)8-5-14/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 373.84 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 34572785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).